1-[(4-tert-butylphenoxy)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-tert-butylphenoxy)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-[2-[(4-chlorophenyl)thio]phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-[2-[(4-chlorophenyl)thio]phenyl]pyrazole-3-carboxamide Formula: C27H26ClN3O2S MolecularWeight: 492.03224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H26ClN3O2S/c1-27(2,3)19-8-12-21(13-9-19)33-18-31-17-16-24(30-31)26(32)29-23-6-4-5-7-25(23)34-22-14-10-20(28)11-15-22/h4-17H,18H2,1-3H3,(H,29,32)